7XRO

LysR-family transcriptional regulator RipR effector binding domain with its effector, 3-phenylpropionic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	100.15
Detector technology	CCD
Collection date	2022-03-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97957
Spacegroup name	P 31 2 1
Unit cell lengths	83.107, 83.107, 172.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.700 - 2.800
R-factor	0.2177
Rwork	0.213
R-free	0.25630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v5v
Data reduction software	HKL-2000 (v722)
Data scaling software	SCALA (3.3.22)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.700	28.700	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.021	1.697
Rmeas	0.095	0.021	1.744
Rpim	0.021	0.005	0.398
Total number of observations	341941	11039	47185
Number of reflections	17475	608	2525
<I/σ(I)>	26.8	106.5	2.1
Completeness [%]	99.4	95.6	99.5
Redundancy	19.6	18.2	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		286.15	0.1 M sodium cacodylate trihydrate (pH 6.5), 1.4 M ammonium sulfate